2-(2-acetylphenoxy)acetic acid

C10H10O4 — CID 2803551

IUPAC2-(2-acetylphenoxy)acetic acid
SMILESCC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C10H10O4/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGQZDTCFUDGMSOS-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.35
Rot. Bonds4

About 2-(2-acetylphenoxy)acetic acid

2-(2-acetylphenoxy)acetic acid (PubChem CID 2803551) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-acetylphenoxy)acetic acid
PubChem CID2803551
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(2-acetylphenoxy)acetic acid
SMILESCC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C10H10O4/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGQZDTCFUDGMSOS-UHFFFAOYSA-N
XLogP1.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)acetic acid?
The IUPAC name of 2-(2-acetylphenoxy)acetic acid (CID 2803551) is 2-(2-acetylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-acetylphenoxy)acetic acid?
The canonical SMILES for 2-(2-acetylphenoxy)acetic acid is CC(=O)c1ccccc1OCC(=O)O.
What is the InChIKey of 2-(2-acetylphenoxy)acetic acid?
The InChIKey is GQZDTCFUDGMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)8-4-2-3-5-9(8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-acetylphenoxy)acetic acid?
2-(2-acetylphenoxy)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)acetic acid is sourced from PubChem (CID 2803551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).